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30807-49-9 | Phosphonic acid, P-[(2,5-dibromo-3-thienyl)methyl]-, diethyl ester
CAS No: 30807-49-9 Catalog No: AG0031CP MDL No:
Product Description
Catalog Number:
AG0031CP
Chemical Name:
Phosphonic acid, P-[(2,5-dibromo-3-thienyl)methyl]-, diethyl ester
CAS Number:
30807-49-9
Molecular Formula:
C9H13Br2O3PS
Molecular Weight:
392.0445
IUPAC Name:
2,5-dibromo-3-(diethoxyphosphorylmethyl)thiophene
InChI:
InChI=1S/C9H13Br2O3PS/c1-3-13-15(12,14-4-2)6-7-5-8(10)16-9(7)11/h5H,3-4,6H2,1-2H3
InChI Key:
HYJOOWVJGRPCNC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cc(sc1Br)Br)OCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.867g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.042g/mol
Monoisotopic Mass:
389.869g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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